CAS 115269-99-3 N,N-Bis-Boc-N-allylamine (HCID 10244201)

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Basic information

CAS: 115269-99-3
Standard SMILES: C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey: YLJIUBLSFUQBSL-UHFFFAOYSA-N
Molecular formula: C13H23NO4
Average molar mass: 257.33 g/mol
Monoisotopic mass: 257.16270822

Names & identifiers

Preferred name: N,N-Bis-Boc-N-allylamine
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamate
English name: N,N-BIS-BOC-N-ALLYLAMINE
Molecular formula: C13H23NO4
Molecular weight: 257.33

Names & synonyms

N,N-Bis-Boc-N-allylamine115269-99-3DTXSID80437274RefChem:358798DTXCID60388098N,N-DIBOC-ALLYLAMINEMFCD04115302N,N-Bis(Boc)allylaminetert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamateN,N-Di-Boc-allylamineImidodicarbonic acid, 2-(2-propen-1-yl)-, 1,3-bis(1,1-dimethylethyl) ester1,3-BIs(1,1-dimethylethyl) 2-(2-propen-1-yl)imidodicarbonate

Show more names

N,N-bis(tert-butoxycarbonyl)allylamineN,N-bistertbutyloxycarbonyl-N-enepropylamineImidodicarbonic acid, N-2-propen-1-yl-, C,C'-bis(1,1-dimethylethyl) ester

N-Bis-Boc-N-allylaMineNN-Bis-Boc-N-Allylaminetert-butyl N-allyl-N-tert-butoxycarbonyl-carbamateSCHEMBL2622073YLJIUBLSFUQBSL-UHFFFAOYSA-Ntert-butyl N-[(tert-butoxy)carbonyl]-N-(prop-2-en-1-yl)carbamateXH0558Di (tert-butyl) allylimidodicarbonate

Database identifiers

CAS: 115269-99-3
PubChem CID: 10244201

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 295

Physicochemical properties

Melting point: 47 · 47-48°
storage temp.: 2 · 2-8°C
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02
Hazard statements: H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235